GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE) | |
https://wiki.fysik.dtu.dk/gpaw/ https://pypi.org/project/gpaw/ | |
gpaw-24.1.0 | GPL-3 |
download~amd64 | phackerlay |